Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CASP6 | P55212 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27749643 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HSD17B10LMNACASP6MAPT | |
| SCHEMBL6442007 | 0.65 | CA1 (0.42) | ALDH1A1HSD17B10LMNACASP6KMT2A | |
| SCHEMBL3274246 | 0.65 | ALDH1A1 (0.36) | ALDH1A1HSD17B10LMNACASP6KMT2A | |
| Hydrochloric Acid SCHEMBL28047341 | 0.61 | CA1 (0.42) | ALDH1A1LMNACASP6MAPTKMT2A | |
| SCHEMBL3275976 | 0.61 | ALDH1A1 (0.36) | ALDH1A1HSD17B10LMNACASP6KMT2A | |
| SCHEMBL2633941 | 0.60 | PKM (0.57) | MAPTKDM4ECA12CA1CA2 | |
| SCHEMBL2986914 | 0.60 | PKM (0.66) | ALDH1A1MAPTKMT2AHPGDGAA | |
| SCHEMBL30153814 | 0.60 | TSHR (0.46) | ALDH1A1HSD17B10LMNACASP6KDM4E | |
| SCHEMBL30140539 | 0.60 | PKM (0.66) | ALDH1A1MAPTKMT2AHPGDGAA | |
| SCHEMBL2781797 | 0.60 | CA12 (0.54) | ALDH1A1LMNAKMT2AKDM4EHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105142627-A | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS INC | 2015-12-09 | — | — | CN | disclosed |